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Symmetry And Interface Considerations For Interactions On Mos2, Prescott E. Evans
Symmetry And Interface Considerations For Interactions On Mos2, Prescott E. Evans
Department of Physics and Astronomy: Dissertations, Theses, and Student Research
The critical role of symmetry, in adsorbate-MoS2 interactions, has been demonstrated through a variety of electronic structure, topology, and catalytic studies of MoS2 and MoS2 composites.A combination of density functional theory and experiment exhibiting diiodobenzene isomer dependent adsorption rates highlight frontier orbital symmetry as key to adsorption on MoS2. It is clear that the geometry and symmetry of MoS2 influences the creation and stability of surface defects, that in turn affect catalytic activity and a myriad of other applications. We have shown that surface reactions such the methanol to methoxy reaction can create defects …